2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid

C9H12N2O4S — CID 65169781

IUPAC2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(=O)O)sc1C
InChIInChI=1S/C9H12N2O4S/c1-5-6(2)16-9(10-5)11(3-7(12)13)4-8(14)15/h3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNRXGHTYKZCWVLC-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.74
Rot. Bonds5

About 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid

2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 65169781) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID65169781
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(=O)O)sc1C
InChIInChI=1S/C9H12N2O4S/c1-5-6(2)16-9(10-5)11(3-7(12)13)4-8(14)15/h3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNRXGHTYKZCWVLC-UHFFFAOYSA-N
XLogP0.74
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid (CID 65169781) is 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid is Cc1nc(N(CC(=O)O)CC(=O)O)sc1C.
What is the InChIKey of 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is NRXGHTYKZCWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-6(2)16-9(10-5)11(3-7(12)13)4-8(14)15/h3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid?
2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 65169781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).